CID 166445

1-(1,2,3,4-tetrahydro-4,4-dimethyl-1-naphthyl)propan-1-one

Structural Information

Molecular Formula
C15H20O
SMILES
CCC(=O)C1CCC(C2=CC=CC=C12)(C)C
InChI
InChI=1S/C15H20O/c1-4-14(16)12-9-10-15(2,3)13-8-6-5-7-11(12)13/h5-8,12H,4,9-10H2,1-3H3
InChIKey
GNONYQJSCSRZOC-UHFFFAOYSA-N
Compound name
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

22
Patents

216.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.158686 149.8
[M+Na]+ 239.140628 156.9
[M-H]- 215.144134 154.0
[M+NH4]+ 234.185233 171.7
[M+K]+ 255.114568 153.8
[M+H-H2O]+ 199.148670 144.2
[M+HCOO]- 261.149611 168.7
[M+CH3COO]- 275.165261 191.4
[M+Na-2H]- 237.126076 154.5
[M]+ 216.15086142 148.8
[M]- 216.15195858 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe